5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione

C16H27FN2O2 — CID 130246361

IUPAC5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione
SMILESCC(C)CCCn1cc(F)c(=O)n(CCCC(C)C)c1=O
InChIInChI=1S/C16H27FN2O2/c1-12(2)7-5-9-18-11-14(17)15(20)19(16(18)21)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyOGYJYLJLEIGWRF-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.02
Rot. Bonds8

About 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione

5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione (PubChem CID 130246361) has the molecular formula C16H27FN2O2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione
PubChem CID130246361
Molecular FormulaC16H27FN2O2
Molecular Weight298.40 g/mol
Exact Mass298.21
IUPAC Name5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione
SMILESCC(C)CCCn1cc(F)c(=O)n(CCCC(C)C)c1=O
InChIInChI=1S/C16H27FN2O2/c1-12(2)7-5-9-18-11-14(17)15(20)19(16(18)21)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3
InChIKeyOGYJYLJLEIGWRF-UHFFFAOYSA-N
XLogP3.02
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione (CID 130246361) is 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione is CC(C)CCCn1cc(F)c(=O)n(CCCC(C)C)c1=O.
What is the InChIKey of 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione?
The InChIKey is OGYJYLJLEIGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2/c1-12(2)7-5-9-18-11-14(17)15(20)19(16(18)21)10-6-8-13(3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione?
5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione has a molecular weight of 298.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(4-methylpentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 130246361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).